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RESEARCH ARTICLE · Advanced Science · 2022

Uncovering a Vital Band Gap Mechanism of Pnictides

Jindong Chen, Qingchen Wu, Haotian Tian, Xiaotian Jiang, Feng Xu, Xin Lei Zhao, Zheshuai Lin, Min Luo, Ning Ye

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Uncovering a Vital Band Gap Mechanism of PnictidesOriginalAchieving a strong second harmonic generation response and a wide band gap in a Hg-based material41Semiconducting silicon–phosphorus frameworks for caging exotic polycations10Trade-Off for Better Balanced Nonlinear Optical Performance with Disordered Si in ZnGeP217AIn 3 Si 4 P 9 (A = Ca, Sr): quaternary phosphides with double-helix structures exhibiting high laser-induced damage thresholds19A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response34An overview of Mg-based IR nonlinear optical materials23From BPS 4 to AB 3 P 2 S 10 (A = Na, K): cations inducing dimension reduction and bandgap enlargement7Linear optical afterglow and nonlinear optical harmonic generation from chiral tin( iv ) halides: the role of lattice distortions37[K2PbX][Ga7S12] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV46Inherent law of SHG and phase-matching in 0D NLO materials: Permutation tetra-coordinated groups2MgSiP2: An Infrared Nonlinear Optical Crystal with a Large Non‐Resonant Phase‐Matchable Second Harmonic Coefficient and High Laser Damage Threshold18BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6Double alkaline earth metals sulfide SrMgGeS4 with high laser-induced damage threshold and strong second-harmonic generation29Computational study on structural, elastic, mechanical and optical properties of K2AgAs ternary semiconductor compound14Nonlinear Optical Phosphide CuInSi2P4: The Inaugural Member of Diamond-Like Family I–III–IV2–V4 Inspired by ZnGeP216Computer-aided screening of bismuth molybdates nonlinear optical crystals γ -Bi 2 MoO 64RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation23Structural strategy for advancing nonlinear optical effects in 1D-[MX 2 ] ∞ chains: internal distortion and atomic types2Rational Design of Novel Promising Infrared Nonlinear Optical Materials: Structural Chemistry and Balanced Performances157Nanohardness and Young’s modulus of II-IV-V 2 chalcopyrite nonlinear optical crystals: a comparative study4Unraveling the Deep‐Level Defects Induced Optical Losses in LilnSe2 Crystal toward Enhancement of Mid‐Infrared Laser Radiation13La3Ga5M0.5Sn0.5O14, (M = Ge, Si): Design and Synthesis of Two Langasite Nonlinear Optical Materials with Large Second Harmonic Generation and Birefringence Induced by Distorted (Sn/M)O6 Octahedra4FeSi4P4 and CoSi3P3: Hidden Gems of Ternary Tetrel Pnictides with Outstanding Nonlinear Optical Properties11Achieving strong optical nonlinearity and wide bandgap of pnictides via ionic motif–driven directed assembly of covalent groups40Computer‐Aided Development of New Nonlinear Optical Materials38Computer‐Aided Development of New Nonlinear Optical Materials14Numerical simulation and modified Bridgman growth of high-quality and large-sized LiGaS 2 mid-infrared optical crystals1磷属红外非线性光学晶体带隙调控的可能策略（特邀）5Assembly between diverse polycations and diamond-like anionic frameworks in salt-inclusion phosphides enables excellent nonlinear optical properties4Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 1131Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 116La 3 ZrGa 5 O 14 : Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap18La3ZrGa5O14: Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap1Synergically Assembling Advantageous Groups toward High‐Performance Infrared Nonlinear Optical Materials A II CdSiSe 4 (A II = Sr, Ba)41Electronic structure, elastic and transport properties of the A2TtAs2 zintl phases (A = Rb, Cs; Tt = Si, Sn): A quantum computational approach0Single-Crystal Growth and Characterization of High-Entropy Phosphides ASiP20Rational Design of a Deep-Ultraviolet Nonlinear Optical Crystal25Synthesis, Anion Disordering and Electronic Structure of Rb2KWO3F3 Elpasolite0CaM 3 Si 4 As 11 (M = Ga, In): arsenide infrared nonlinear optical crystals enforced by novel [As 2 ] linear motifs0Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals15Cs X Si 15 P 21 ( X = Sn or Pb): Polar Noncentrosymmetric Si–P Frameworks Stabilized by Covalent X –P Bonding3The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 116The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 110BaM2Si7As12 (M = Ga, In): Arsenide infrared nonlinear optical crystals via an adding phase strategy0Gravity‐Field Self‐Regulatory Engineering Enables PbIn 6 Te 10 Nonlinear Optical Crystals Boosting Laser‐Induced Damage Threshold1CaM 3 Si 4 P 11 (M = Al, Ga): [P 2 ] Motifs‐Modified Quasi‐T 3 Supertetrahedra Drive Superior Infrared Nonlinear Optical Performances1Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity0Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity0

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  1. Achieving a strong second harmonic generation response and a wide band gap in a Hg-based material

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  2. Semiconducting silicon–phosphorus frameworks for caging exotic polycations

    Chemical Communications · 2022

    Philip Yox, Andrew P. Porter, Rick W. Dorn, Victoria Kyveryga, Aaron J. Rossini, Kirill A. Kovnir

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  3. Trade-Off for Better Balanced Nonlinear Optical Performance with Disordered Si in ZnGeP2

    Chemistry of Materials · 2022

    Shunda Yang, Chensheng Lin, Kaichuang Chen, Huixin Fan, Jindong Chen, Shenghao Fang, Ning Ye, Min Luo

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  4. AIn 3 Si 4 P 9 (A = Ca, Sr): quaternary phosphides with double-helix structures exhibiting high laser-induced damage thresholds

    Inorganic Chemistry Frontiers · 2022

    Ming‐Shu Zhang, Bin‐Wen Liu, Xiao‐Ming Jiang, Guo‐Cong Guo

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  5. A new infrared nonlinear optical material BaZnGeS 4 with a wide band gap and large nonlinear optical response

    Inorganic Chemistry Frontiers · 2023

    Hongshan Wang, Xueting Pan, Wang Zhao, Yu Chu, Junjie Li

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  6. An overview of Mg-based IR nonlinear optical materials

    Inorganic Chemistry Frontiers · 2023

    Jiaxiang Zhang, Mao‐Yin Ran, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  7. From BPS 4 to AB 3 P 2 S 10 (A = Na, K): cations inducing dimension reduction and bandgap enlargement

    Dalton Transactions · 2023

    Yi Huang, Dongdong Chu, Yihan Yun, Wenlong Xie, Guangmao Li, Yong an Zhang

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  8. Linear optical afterglow and nonlinear optical harmonic generation from chiral tin( iv ) halides: the role of lattice distortions

    Materials Horizons · 2023

    Xiao Han, Puxin Cheng, Rongchao Shi, Yongshen Zheng, Siming Qi, Jialiang Xu, Xian‐He Bu

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  9. [K2PbX][Ga7S12] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

    Advanced Science · 2023

    Wen‐Fa Chen, Bin‐Wen Liu, Shao‐Min Pei, Xiao‐Ming Jiang, Guo‐Cong Guo

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  10. Inherent law of SHG and phase-matching in 0D NLO materials: Permutation tetra-coordinated groups

    Journal of Solid State Chemistry · 2023

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  11. MgSiP2: An Infrared Nonlinear Optical Crystal with a Large Non‐Resonant Phase‐Matchable Second Harmonic Coefficient and High Laser Damage Threshold

    Advanced Optical Materials · 2023

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  12. BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure

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    Arka Sarkar, Gayatri Viswanathan, Kui Wu, Gordon J. Miller, Kirill A. Kovnir

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  13. Double alkaline earth metals sulfide SrMgGeS4 with high laser-induced damage threshold and strong second-harmonic generation

    Materials Today Physics · 2023

    Hongshan Wang, Yu Chu, Xueting Pan, Zhihua Yang, Shilie Pan, Junjie Li

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  14. Computational study on structural, elastic, mechanical and optical properties of K2AgAs ternary semiconductor compound

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    Robinson Juma Musembi, Mwende Mbilo

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  15. Nonlinear Optical Phosphide CuInSi2P4: The Inaugural Member of Diamond-Like Family I–III–IV2–V4 Inspired by ZnGeP2

    ACS Applied Materials & Interfaces · 2023

    Ming‐Shu Zhang, Bin‐Wen Liu, Xiao‐Ming Jiang, Guo‐Cong Guo

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  16. Computer-aided screening of bismuth molybdates nonlinear optical crystals γ -Bi 2 MoO 6

    Inorganic Chemistry Frontiers · 2024

    Xuefan Wang, Yan Xiao, Wenjing Tan, Hongbo Huang, Daqing Yang, Ying Wang, Bingbing Zhang

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  17. RbPbPS 4 : a promising IR nonlinear optical material achieved by lone-pair-cation-substitution-induced structure transformation

    Inorganic Chemistry Frontiers · 2024

    A-Yang Wang, Sheng-Hua Zhou, Mao‐Yin Ran, Bingxuan Li, Xin‐Tao Wu, Hua Lin, Qi‐Long Zhu

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  18. Structural strategy for advancing nonlinear optical effects in 1D-[MX 2 ] ∞ chains: internal distortion and atomic types

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  19. Rational Design of Novel Promising Infrared Nonlinear Optical Materials: Structural Chemistry and Balanced Performances

    Accounts of Chemical Research · 2024

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  20. Nanohardness and Young’s modulus of II-IV-V 2 chalcopyrite nonlinear optical crystals: a comparative study

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  21. Unraveling the Deep‐Level Defects Induced Optical Losses in LilnSe2 Crystal toward Enhancement of Mid‐Infrared Laser Radiation

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  22. La3Ga5M0.5Sn0.5O14, (M = Ge, Si): Design and Synthesis of Two Langasite Nonlinear Optical Materials with Large Second Harmonic Generation and Birefringence Induced by Distorted (Sn/M)O6 Octahedra

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    Jingxuan Hou, Jiajia Wang, Fei Liang, Shihui Ma, Hongwei Yu, Hongping Wu, Ning Ye, Zhanggui Hu, Yicheng Wu

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  23. FeSi4P4 and CoSi3P3: Hidden Gems of Ternary Tetrel Pnictides with Outstanding Nonlinear Optical Properties

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  24. Achieving strong optical nonlinearity and wide bandgap of pnictides via ionic motif–driven directed assembly of covalent groups

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  25. Computer‐Aided Development of New Nonlinear Optical Materials

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  26. Computer‐Aided Development of New Nonlinear Optical Materials

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  27. Numerical simulation and modified Bridgman growth of high-quality and large-sized LiGaS 2 mid-infrared optical crystals

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  28. 磷属红外非线性光学晶体带隙调控的可能策略（特邀）

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  29. Assembly between diverse polycations and diamond-like anionic frameworks in salt-inclusion phosphides enables excellent nonlinear optical properties

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  30. Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 11

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  31. Reinforced Nonlinear Optical Performances Induced by P‐P Homoatomic Bond in Phosphide SrIn 3 Si 4 P 11

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  32. La 3 ZrGa 5 O 14 : Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap

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  33. La3ZrGa5O14: Band‐Inversion Strategy in Topology‐Protected Octahedron for Large Nonlinear Response and Wide Bandgap

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  34. Synergically Assembling Advantageous Groups toward High‐Performance Infrared Nonlinear Optical Materials A II CdSiSe 4 (A II = Sr, Ba)

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  35. Electronic structure, elastic and transport properties of the A2TtAs2 zintl phases (A = Rb, Cs; Tt = Si, Sn): A quantum computational approach

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  36. Single-Crystal Growth and Characterization of High-Entropy Phosphides ASiP2

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  37. Rational Design of a Deep-Ultraviolet Nonlinear Optical Crystal

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  38. Synthesis, Anion Disordering and Electronic Structure of Rb2KWO3F3 Elpasolite

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  39. CaM 3 Si 4 As 11 (M = Ga, In): arsenide infrared nonlinear optical crystals enforced by novel [As 2 ] linear motifs

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  40. Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals

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  41. Cs X Si 15 P 21 ( X = Sn or Pb): Polar Noncentrosymmetric Si–P Frameworks Stabilized by Covalent X –P Bonding

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  42. The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 11

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  43. The Power of Pnictogen Bond: As─As Linkages Drive Wide Bandgap, Strong NLO Response and Large Birefringence in SrGa 3 Si 4 As 11

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  44. BaM2Si7As12 (M = Ga, In): Arsenide infrared nonlinear optical crystals via an adding phase strategy

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  45. Gravity‐Field Self‐Regulatory Engineering Enables PbIn 6 Te 10 Nonlinear Optical Crystals Boosting Laser‐Induced Damage Threshold

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  46. CaM 3 Si 4 P 11 (M = Al, Ga): [P 2 ] Motifs‐Modified Quasi‐T 3 Supertetrahedra Drive Superior Infrared Nonlinear Optical Performances

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  47. Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity

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  48. Topology‐Preserving Ionic‐Unit Substitution Enables Sphalerite‐Like Phosphides Achieving Superior Infrared Optical Nonlinearity

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